5-[(2-chlorophenyl)methylidene]-3-[(4-nitrophenyl)methylideneamino]-2-phenylimidazol-4-one

C23H15ClN4O3 — CID 3079698

IUPAC5-[(2-chlorophenyl)methylidene]-3-[(4-nitrophenyl)methylideneamino]-2-phenylimidazol-4-one
SMILESO=C1C(=Cc2ccccc2Cl)N=C(c2ccccc2)N1N=Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C23H15ClN4O3/c24-20-9-5-4-8-18(20)14-21-23(29)27(22(26-21)17-6-2-1-3-7-17)25-15-16-10-12-19(13-11-16)28(30)31/h1-15H
InChIKeyGHFJFOAFHYYAAY-UHFFFAOYSA-N
MW430.85 g/mol
LogP4.91
Rot. Bonds5

About 5-[(2-chlorophenyl)methylidene]-3-[(4-nitrophenyl)methylideneamino]-2-phenylimidazol-4-one

5-[(2-chlorophenyl)methylidene]-3-[(4-nitrophenyl)methylideneamino]-2-phenylimidazol-4-one (PubChem CID 3079698) has the molecular formula C23H15ClN4O3 and a molecular weight of 430.85 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methylidene]-3-[(4-nitrophenyl)methylideneamino]-2-phenylimidazol-4-one.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methylidene]-3-[(4-nitrophenyl)methylideneamino]-2-phenylimidazol-4-one
PubChem CID3079698
Molecular FormulaC23H15ClN4O3
Molecular Weight430.85 g/mol
Exact Mass430.08
IUPAC Name5-[(2-chlorophenyl)methylidene]-3-[(4-nitrophenyl)methylideneamino]-2-phenylimidazol-4-one
SMILESO=C1C(=Cc2ccccc2Cl)N=C(c2ccccc2)N1N=Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C23H15ClN4O3/c24-20-9-5-4-8-18(20)14-21-23(29)27(22(26-21)17-6-2-1-3-7-17)25-15-16-10-12-19(13-11-16)28(30)31/h1-15H
InChIKeyGHFJFOAFHYYAAY-UHFFFAOYSA-N
XLogP4.91
TPSA88.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.85
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-benzylidene-3-[(E)-(4-chlorophenyl)methylideneamino]-2-phenylimidazol-4-one
CID 20845059
5-[(2-bromophenyl)methylidene]-3-[(2-bromophenyl)methylideneamino]-2-phenylimidazol-4-one
CID 3079704
(5E)-3-[(E)-benzylideneamino]-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one
CID 177408964
(5Z)-3-(4-fluorophenyl)-5-[(4-nitrophenyl)methylidene]-2-phenylimidazol-4-one
CID 2270690
(5Z)-3-(4-benzoylphenyl)-5-[(4-nitrophenyl)methylidene]-2-phenylimidazol-4-one
CID 10814340
3-[(E)-[5-(diethylamino)-2-hydroxyphenyl]methylideneamino]-5-[(2-nitrophenyl)methylidene]-2-phenylimidazol-4-one
CID 135822044
(5E)-3-(2-hydroxy-4-nitrophenyl)-5-[(2-hydroxyphenyl)methylidene]-2-phenylimidazol-4-one
CID 26476138
3-(4-chlorophenyl)-5-[(2-nitrophenyl)methylidene]-2-phenylimidazol-4-one
CID 1335990
(5E)-3-(2-hydroxy-4-nitrophenyl)-5-[(2-nitrophenyl)methylidene]-2-phenylimidazol-4-one
CID 26476141
1-(4-nitrophenyl)-N-pyrrolidin-1-ylmethanimine
CID 71401110
(E)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(4-nitrophenyl)methanimine
CID 7387962
N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(4-nitrophenyl)methanimine
CID 1110806

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methylidene]-3-[(4-nitrophenyl)methylideneamino]-2-phenylimidazol-4-one?
The IUPAC name of 5-[(2-chlorophenyl)methylidene]-3-[(4-nitrophenyl)methylideneamino]-2-phenylimidazol-4-one (CID 3079698) is 5-[(2-chlorophenyl)methylidene]-3-[(4-nitrophenyl)methylideneamino]-2-phenylimidazol-4-one.
What is the SMILES notation for 5-[(2-chlorophenyl)methylidene]-3-[(4-nitrophenyl)methylideneamino]-2-phenylimidazol-4-one?
The canonical SMILES for 5-[(2-chlorophenyl)methylidene]-3-[(4-nitrophenyl)methylideneamino]-2-phenylimidazol-4-one is O=C1C(=Cc2ccccc2Cl)N=C(c2ccccc2)N1N=Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 5-[(2-chlorophenyl)methylidene]-3-[(4-nitrophenyl)methylideneamino]-2-phenylimidazol-4-one?
The InChIKey is GHFJFOAFHYYAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClN4O3/c24-20-9-5-4-8-18(20)14-21-23(29)27(22(26-21)17-6-2-1-3-7-17)25-15-16-10-12-19(13-11-16)28(30)31/h1-15H.
What are the key properties of 5-[(2-chlorophenyl)methylidene]-3-[(4-nitrophenyl)methylideneamino]-2-phenylimidazol-4-one?
5-[(2-chlorophenyl)methylidene]-3-[(4-nitrophenyl)methylideneamino]-2-phenylimidazol-4-one has a molecular weight of 430.85 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methylidene]-3-[(4-nitrophenyl)methylideneamino]-2-phenylimidazol-4-one is sourced from PubChem (CID 3079698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).